Publications of M. Ruggenthaler
All genres
Journal Article (59)
2019
Journal Article
M. Penz, , , and M. Ruggenthaler, Guaranteed Convergence of a Regularized Kohn-Sham Iteration in Finite Dimensions, Physical Review Letters 123 (3), 037401 (2019).
Journal Article
, , M. Penz, M. Ruggenthaler, , and , Kohn–Sham Theory with Paramagnetic Currents: Compatibility and Functional Differentiability, Journal of Chemical Theory and Computation 15 (7), 4003–4020 (2019).
Journal Article
and M. Ruggenthaler, One-body reduced density-matrix functional theory in finite basis sets at elevated temperatures, Physics Reports: Review Section of Physics Letters 806, 1–47 (2019).
Journal Article
C. Schäfer, M. Ruggenthaler, H. Appel, and A. Rubio, Modification of excitation and charge transfer in cavity quantum-electrodynamical chemistry, Proceedings of the National Academy of Sciences of the United States of America 116 (11), 4883–4892 (2019).
Journal Article
R. Jestädt, M. Ruggenthaler, M. J. T. Oliveira, A. Rubio, and H. Appel, Light-matter interactions within the Ehrenfest–Maxwell–Pauli–Kohn–Sham framework: fundamentals, implementation, and nano-optical applications, Advances in Physics 68 (4), 225–333 (2019).
2018
Journal Article
M. A. Sentef, M. Ruggenthaler, and A. Rubio, Cavity quantum-electrodynamical polaritonically enhanced electron-phonon coupling and its influence on superconductivity, Science Advances 4 (11), eaau6969 (2018).
Journal Article
, M. Penz, , M. Ruggenthaler, , and , Generalized Kohn–Sham iteration on Banach spaces, The Journal of Chemical Physics 149 (16), 164103 (2018).
Journal Article
S. E. B. Nielsen, M. Ruggenthaler, and , Numerical construction of the density-potential mapping, European Physical Journal B 91 (10), 235 (2018).
Journal Article
C. Schäfer, M. Ruggenthaler, and A. Rubio, Ab initio nonrelativistic quantum electrodynamics: Bridging quantum chemistry and quantum optics from weak to strong coupling, Physical Review A 98, 043801 (2018).
Journal Article
I. Theophilou, F. Buchholz, F. G. Eich, M. Ruggenthaler, and A. Rubio, Kinetic-Energy Density-Functional Theory on a Lattice, Journal of Chemical Theory and Computation 14 (8), 4072–4087 (2018).
Journal Article
M. Ruggenthaler, N. Tancogne-Dejean, J. Flick, H. Appel, and A. Rubio, From a quantum-electrodynamical light–matter description to novel spectroscopies, Nature Reviews Chemistry 2 (3), UNSP 0118 (2018).
Journal Article
J. Flick, C. Schäfer, M. Ruggenthaler, H. Appel, and A. Rubio, Ab Initio Optimized Effective Potentials for Real Molecules in Optical Cavities: Photon Contributions to the Molecular Ground State, ACS Photonics 5 (3), 992–1005 (2018).
Journal Article
V. Rokaj, D. Welakuh, M. Ruggenthaler, and A. Rubio, Light–matter interaction in the long-wavelength limit: no ground-state without dipole self-energy, Journal of Physics B: Atomic, Molecular and Optical Physics 51 (3), 034005 (2018).
2017
Journal Article
T. Dimitrov, J. Flick, M. Ruggenthaler, and A. Rubio, Exact functionals for correlated electron-photon systems, New Journal of Physics 19, 113036 (2017).
Journal Article
M. Ruggenthaler, [Viewpoint:] Inducing Multiple Reactions with a Single Photon, Physics 10, 105 (2017).
Journal Article
J. Flick, M. Ruggenthaler, H. Appel, and A. Rubio, Atoms and molecules in cavities, from weak to strong coupling in quantum-electrodynamics (QED) chemistry, Proceedings of the National Academy of Sciences of the United States of America 114 (12), 3026–3034 (2017).
Journal Article
J. Flick, H. Appel, M. Ruggenthaler, and A. Rubio, Cavity Born-Oppenheimer Approximation for Correlated Electron-Nuclear-Photon Systems, Journal of Chemical Theory and Computation 13 (4), 1616–1625 (2017).
2016
Journal Article
, S. E. B. Nielsen, M. Ruggenthaler, and , Time-dependent density functional theory beyond Kohn–Sham Slater determinants, Physical Chemistry Chemical Physics 18 (31), 20976–20985 (2016).
2015
Journal Article
J. Flick, M. Ruggenthaler, H. Appel, and A. Rubio, Kohn–Sham approach to quantum electrodynamical density-functional theory: Exact time-dependent effective potentials in real space, Proceedings of the National Academy of Sciences of the United States of America 112 (50), 15285–15290 (2015).
Preprint (8)
2025
Preprint
L. Konecny, V. Kosheleva, M. Ruggenthaler, , and A. Rubio, Linear-Response Quantum-Electrodynamical Density Functional Theory Based on Two-Component X2C Hamiltonians. 09-Jul-2025.